Information card for entry 4318583

Structure parameters

• Formula: C36 H44 Cl14 N8 S6 Ti
• Calculated formula: C30 H40 Cl14 N8 S6 Ti
• Title of publication: Preparation of New Monoanionic "Scorpionate" Ligands: Synthesis and Structural Characterization of Titanium(IV) Complexes Bearing This Class of Ligand
• Authors of publication: A. Otero; J. Fernández-Baeza; A. Antiñolo; F. Carrillo-Hermosilla; J. Tejeda; A. Lara-Sánchez; L. Sánchez-Barba; M. Fernández-López; A. M. Rodríguez; I. López-Solera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5193 - 5202
• a: 22.38 ± 0.004 Å
• b: 13.837 ± 0.009 Å
• c: 18.574 ± 0.004 Å
• α: 90 ± 0°
• β: 91.67 ± 0.003°
• γ: 90 ± 0°
• Cell volume: 5749 ± 4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.247
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No